GNPS Node Annotations
library(tidyverse)Warning: package ‘tidyverse’ was built under R version 4.1.3Registered S3 methods overwritten by 'dbplyr':
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masses <- c(C = 12, H = 1.007825, N = 14.00307400443, O = 15.99491461957, P = 30.973761998, S = 31.9720711744)Feature metadata
Read feature annotations from file:
feature_info <- rbind(
read_tsv("Feature_metadata/C18neg_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>%
mutate(FEATURE_ID = paste0("X95", formatC(`#featureID`, width = 5, flag = "0", format = "d"))) %>%
mutate(FAMILY_ID = paste0("X95", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d"))),
read_tsv("Feature_metadata/C18pos_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>%
mutate(FEATURE_ID = paste0("X94", formatC(`#featureID`, width = 5, flag = "0", format = "d"))) %>%
mutate(FAMILY_ID = paste0("X94", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d"))),
read_tsv("Feature_metadata/HILICneg_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>%
mutate(FEATURE_ID = paste0("X97", formatC(`#featureID`, width = 5, flag = "0", format = "d"))) %>%
mutate(FAMILY_ID = paste0("X97", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d"))),
read_tsv("Feature_metadata/HILICpos_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>%
mutate(FEATURE_ID = paste0("X96", formatC(`#featureID`, width = 5, flag = "0", format = "d"))) %>%
mutate(FAMILY_ID = paste0("X96", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d")))
) %>%
mutate(FAMILY_ID = if_else(str_detect(FAMILY_ID, "-001$"), "Singleton", FAMILY_ID))Rows: 6155 Columns: 256
-- Column specification -----------------------------------------------------------------------------------------------------------------------------------
Delimiter: "\t"
chr (159): GNPS_Best Ion, GNPS_GNPSLinkout_Cluster, GNPS_GNPSLinkout_Network, GNPS_INCHI, GNPS_LibraryID, GNPS_MS2 Verification Comment, GNPS_Smiles, G...
dbl (91): #featureID, GNPS_Annotated Adduct Features ID, GNPS_Correlated Features Group ID, GNPS_G1, GNPS_G2, GNPS_G3, GNPS_G4, GNPS_G5, GNPS_G6, GNPS...
lgl (6): GNPS_LIB_Pubmed_ID, GNPS_LIB_INCHI_AUX, GNPS_LIB_tags, GNPS_LIBA_INCHI_AUX, GNPS_LIBA_tags, CSI_ConfidenceScore
i Use `spec()` to retrieve the full column specification for this data.
i Specify the column types or set `show_col_types = FALSE` to quiet this message.
Rows: 15131 Columns: 256
-- Column specification -----------------------------------------------------------------------------------------------------------------------------------
Delimiter: "\t"
chr (158): GNPS_GNPSLinkout_Cluster, GNPS_GNPSLinkout_Network, GNPS_INCHI, GNPS_LibraryID, GNPS_Smiles, GNPS_SpectrumID, GNPS_LIB_SpectrumID, GNPS_LIB_...
dbl (90): #featureID, GNPS_G1, GNPS_G2, GNPS_G3, GNPS_G4, GNPS_G5, GNPS_G6, GNPS_MQScore, GNPS_RTConsensus, GNPS_RTMean, GNPS_RTStdErr, GNPS_SumPeakIn...
lgl (8): GNPS_Annotated Adduct Features ID, GNPS_Best Ion, GNPS_Correlated Features Group ID, GNPS_MS2 Verification Comment, GNPS_neutral M mass, GNP...
i Use `spec()` to retrieve the full column specification for this data.
i Specify the column types or set `show_col_types = FALSE` to quiet this message.
Rows: 11230 Columns: 256
-- Column specification -----------------------------------------------------------------------------------------------------------------------------------
Delimiter: "\t"
chr (153): GNPS_GNPSLinkout_Cluster, GNPS_GNPSLinkout_Network, GNPS_INCHI, GNPS_LibraryID, GNPS_Smiles, GNPS_SpectrumID, GNPS_LIB_SpectrumID, GNPS_LIB_...
dbl (89): #featureID, GNPS_Correlated Features Group ID, GNPS_G1, GNPS_G2, GNPS_G3, GNPS_G4, GNPS_G5, GNPS_G6, GNPS_MQScore, GNPS_RTConsensus, GNPS_RT...
lgl (14): GNPS_Annotated Adduct Features ID, GNPS_Best Ion, GNPS_MS2 Verification Comment, GNPS_neutral M mass, GNPS_LIB_INCHI_AUX, GNPS_LIB_tags, GNP...
i Use `spec()` to retrieve the full column specification for this data.
i Specify the column types or set `show_col_types = FALSE` to quiet this message.
Rows: 28762 Columns: 256
-- Column specification -----------------------------------------------------------------------------------------------------------------------------------
Delimiter: "\t"
chr (161): GNPS_Best Ion, GNPS_GNPSLinkout_Cluster, GNPS_GNPSLinkout_Network, GNPS_INCHI, GNPS_LibraryID, GNPS_MS2 Verification Comment, GNPS_Smiles, G...
dbl (92): #featureID, GNPS_Annotated Adduct Features ID, GNPS_Correlated Features Group ID, GNPS_G1, GNPS_G2, GNPS_G3, GNPS_G4, GNPS_G5, GNPS_G6, GNPS...
lgl (3): GNPS_LIB_INCHI_AUX, GNPS_LIBA_INCHI_AUX, CSI_ConfidenceScore
i Use `spec()` to retrieve the full column specification for this data.
i Specify the column types or set `show_col_types = FALSE` to quiet this message.Figure 3: GNPS
Family X960074
X960074
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X960074")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1063_CARA_HILIC_pos_SIRIUS_merge_1664" "1099_CARA_HILIC_pos_SIRIUS_merge_3193" "135_CARA_HILIC_pos_SIRIUS_merge_2059"
[4] "1378_CARA_HILIC_pos_SIRIUS_merge_6179" "1575_CARA_HILIC_pos_SIRIUS_merge_11987" "1904_CARA_HILIC_pos_SIRIUS_merge_5534"
[7] "2007_CARA_HILIC_pos_SIRIUS_merge_4192" "2178_CARA_HILIC_pos_SIRIUS_merge_1954" "2397_CARA_HILIC_pos_SIRIUS_merge_2246"
[10] "2582_CARA_HILIC_pos_SIRIUS_merge_1633" "2624_CARA_HILIC_pos_SIRIUS_merge_2856" "2705_CARA_HILIC_pos_SIRIUS_merge_7419"
[13] "2974_CARA_HILIC_pos_SIRIUS_merge_2966" "3058_CARA_HILIC_pos_SIRIUS_merge_4131" "342_CARA_HILIC_pos_SIRIUS_merge_12047"
[16] "3533_CARA_HILIC_pos_SIRIUS_merge_3108" "3576_CARA_HILIC_pos_SIRIUS_merge_3032" "3651_CARA_HILIC_pos_SIRIUS_merge_2639"
[19] "3924_CARA_HILIC_pos_SIRIUS_merge_10806" "3982_CARA_HILIC_pos_SIRIUS_merge_2968" "4109_CARA_HILIC_pos_SIRIUS_merge_622"
[22] "4238_CARA_HILIC_pos_SIRIUS_merge_7410" "459_CARA_HILIC_pos_SIRIUS_merge_2837" "4603_CARA_HILIC_pos_SIRIUS_merge_609"
[25] "4629_CARA_HILIC_pos_SIRIUS_merge_10585" "4652_CARA_HILIC_pos_SIRIUS_merge_10422" "5353_CARA_HILIC_pos_SIRIUS_merge_2528"
[28] "5577_CARA_HILIC_pos_SIRIUS_merge_3599" "5645_CARA_HILIC_pos_SIRIUS_merge_2466" "57_CARA_HILIC_pos_SIRIUS_merge_19111"
[31] "5726_CARA_HILIC_pos_SIRIUS_merge_2752" "5927_CARA_HILIC_pos_SIRIUS_merge_6048" "594_CARA_HILIC_pos_SIRIUS_merge_2753"
[34] "6010_CARA_HILIC_pos_SIRIUS_merge_3117" "6063_CARA_HILIC_pos_SIRIUS_merge_6325" "6140_CARA_HILIC_pos_SIRIUS_merge_10587"
[37] "706_CARA_HILIC_pos_SIRIUS_merge_2300" "79_CARA_HILIC_pos_SIRIUS_merge_1718" "901_CARA_HILIC_pos_SIRIUS_merge_6798"
[40] "957_CARA_HILIC_pos_SIRIUS_merge_3576"
$CAN_molecularFormula
[1] "C20H40N3O5P" "C20H41NO7" "C21H43NO7" "C22H39N2O4P" "C22H42N3O4P" "C22H42N3O5P" "C22H45N5O5S" "C22H45NO7" "C23H42N4O4S" "C23H44N3O4P"
[11] "C23H47NO7" "C23H47NO8" "C23H49N5O7S" "C23H51N5O5" "C24H45NO8" "C24H49NO5S2" "C24H49NO8" "C24H51NO6" "C25H51NO9" "C26H50N3O6P"
[21] "C27H48O4S2" "C28H56N3O7P" "C30H55N3O5S" "C30H55N3O6" "C32H58O7S2" "C34H65NO8S2" "C34H71NO11" "C39H65NO9S" "C43H71NO7"
$CAN_adduct
[1] "[M - H2O + H]+" "[M - H4O2 + H]+" "[M + H]+" "[M + H3N + H]+" "[M + K]+" "[M + Na]+"
$`CAN_most specific class`
[1] "Alkanolamines" "Amino acids and derivatives" "Aralkylamines"
[4] "Benzenoids" "Carboxylic acids and derivatives" "Dialkyl ethers"
[7] "Dipeptides" "Fatty amides" "Lipids and lipid-like molecules"
[10] "N-acyl amines" "Organic phosphoric acids and derivatives" "Organic sulfuric acids and derivatives"
[13] "Organooxygen compounds" "Phosphoethanolamines" "Phosphosphingolipids"
[16] "Primary amines" "Secondary alcohols" "Secondary carboxylic acid amides"
[19] "Sulfated steroids" "Sulfuric acid esters" "Sulfuric acid monoesters"
[22] "Trihydroxy bile acids, alcohols and derivatives" "Triradylcglycerols"
$`CAN_level 5`
[1] "Alkanolamines" "Amino acids and derivatives" "Aralkylamines"
[4] "Carboxylic acid amides" "Dialkyl ethers" "Hydroxy bile acids, alcohols and derivatives"
[7] "N-acyl amines" "Peptides" "Phosphoethanolamines"
[10] "Primary amines" "Secondary alcohols" "Sulfuric acid monoesters"
$CAN_subclass
[1] "Alcohols and polyols" "Amines" "Amino acids, peptides, and analogues"
[4] "Bile acids, alcohols and derivatives" "Carboxylic acid derivatives" "Ethers"
[7] "Fatty amides" "Phosphate esters" "Phosphosphingolipids"
[10] "Sulfated steroids" "Sulfuric acid esters" "Triradylcglycerols"
$CAN_class
[1] "Carboxylic acids and derivatives" "Fatty Acyls" "Glycerolipids"
[4] "Organic phosphoric acids and derivatives" "Organic sulfuric acids and derivatives" "Organonitrogen compounds"
[7] "Organooxygen compounds" "Sphingolipids" "Steroids and steroid derivatives"
$CAN_superclass
[1] "Benzenoids" "Lipids and lipid-like molecules" "Organic acids and derivatives" "Organic nitrogen compounds"
[5] "Organic oxygen compounds"
$`CAN_all classifications`
[1] "Organic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dialkyl ethers; Carbonyl compounds; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Dialkyl ethers; Secondary alcohols; Carbonyl compounds; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Carbonyl compounds; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[4] "Organic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Secondary carboxylic acid amides; Amines; Primary amines; Acetamides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[5] "Organic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[6] "Organic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Amines; Triradylcglycerols; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[7] "Organic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Secondary alcohols; Amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[8] "Organic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Dialkyl ethers; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[9] "Organic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Dialkyl ethers; Secondary alcohols; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[10] "Organic compounds; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic sulfuric acids and derivatives; Monoalkylamines; Sulfuric acid monoesters; Amines; Primary amines; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[11] "Organic compounds; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Organic sulfuric acids and derivatives; Monoalkylamines; Amines; Primary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[12] "Organic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Dialkyl ethers; Carbonyl compounds; Amines; Primary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[13] "Organic compounds; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[14] "Organic compounds; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dialkyl ethers; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[15] "Organic compounds; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic phosphoric acids and derivatives; Dialkyl ethers; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[16] "Organic compounds; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic phosphoric acids and derivatives; Phosphate esters; Dialkyl ethers; Phosphoethanolamines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[17] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Dialkyl ethers; Secondary alcohols; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[18] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Dialkyl ethers; Phosphoethanolamines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Phosphosphingolipids; Alkyl phosphates; Dialkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[19] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Secondary alcohols; Triradylcglycerols; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[20] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[21] "Organic compounds; Lipids and lipid-like molecules; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic sulfuric acids and derivatives; Carboxylic acid derivatives; Dialkyl ethers; Sulfuric acid monoesters; Carbonyl compounds; Trialkylamines; Amines; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[22] "Organic compounds; Lipids and lipid-like molecules; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Quaternary ammonium salts; Carboxylic acid derivatives; Dialkyl ethers; Carbonyl compounds; Amines; Triradylcglycerols; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[23] "Organic compounds; Lipids and lipid-like molecules; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic phosphoric acids and derivatives; Phosphate esters; Quaternary ammonium salts; Dialkyl ethers; Amines; Alkyl phosphates; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[24] "Organic compounds; Lipids and lipid-like molecules; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Phosphoethanolamines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Phosphosphingolipids; Alkyl phosphates; Dialkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[25] "Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[26] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Phosphoethanolamines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[27] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities"
[28] "Organic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amines; Primary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[29] "Organic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[30] "Organic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Organic phosphoric acids and derivatives; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[31] "Organic compounds; Organoheterocyclic compounds; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic sulfuric acids and derivatives; Azoles; Sulfuric acid monoesters; Trialkylamines; Benzenoids; Amines; Tertiary amines; Sulfuric acid esters; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[32] "Organic compounds; Organosulfur compounds; Alcohols and polyols; Organic acids and derivatives; Organosulfonic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic sulfuric acids and derivatives; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Aralkylamines; Organic oxides; Hydrocarbon derivatives; Organic sulfonic acids and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[33] "Organic compounds; Organosulfur compounds; Ethers; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Dialkyl ethers; Sulfuric acid esters; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[34] "Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Organosulfonic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Trihydroxy bile acids, alcohols and derivatives; Organosulfonic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Hydroxy bile acids, alcohols and derivatives; Polyols; 3-hydroxysteroids; Alkanesulfonic acids and derivatives; 7-hydroxysteroids; 12-hydroxysteroids; Alkanesulfonic acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic sulfonic acids and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[35] "Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Dialkyl ethers; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[36] "Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbonyl compounds; Amines; Primary amines; Sulfenyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[37] "Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfated steroids; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[38] "Organic compounds; Organosulfur compounds; Organic acids and derivatives; Organooxygen compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
Molecular formulas
SIRIUS/Zodiac annotations:
current_family %>%
select(starts_with("SIR")) %>%
lapply(sort) %>% lapply(unique)$SIR_MF_Zod_molecularFormula
[1] "C20H40N3O5P" "C20H41NO7" "C21H43NO7" "C22H39N2O4P" "C22H42N3O4P" "C22H42N3O5P" "C22H45N5O5S" "C22H45NO7" "C23H42N4O4S" "C23H44N3O4P"
[11] "C23H47NO7" "C23H47NO8" "C23H49N5O7S" "C23H51N5O5" "C24H40O7" "C24H49NO5S2" "C24H49NO8" "C24H51NO6" "C25H51NO9" "C26H50N3O6P"
[21] "C27H48O4S2" "C28H56N3O7P" "C30H55N3O5S" "C30H55N3O6" "C32H58O7S2" "C34H65NO8S2" "C34H71NO11" "C39H65NO9S" "C43H71NO7"
$SIR_MF_Zod_adduct
[1] "[M - H2O + H]+" "[M - H4O2 + H]+" "[M + H]+" "[M + H3N + H]+" "[M + K]+" "[M + Na]+"
$SIR_MF_Zod_ZodiacScore
[1] 0.460 0.461 0.465 0.521 0.561 0.634 0.636 0.666 0.672 0.696 0.703 0.714 0.716 0.722 0.748 0.784 0.791 0.794 0.826 0.851 0.869 0.885 0.899 0.930 0.947
[26] 0.950 0.969 0.981 0.982 0.985 0.990 0.991 0.992 0.998 0.999 1.000
$SIR_MF_Zod_TreeScore
[1] 7.653 9.675 15.179 18.495 20.957 22.077 23.518 24.542 24.848 25.348 25.820 27.267 27.284 27.624 28.285 28.410 28.783 29.249 29.296 29.397 31.653
[22] 32.011 32.598 33.524 33.622 33.866 37.631 40.357 41.853 42.552 42.617 42.938 44.464 44.776 46.257 48.855 49.004 49.523 51.264 52.700
$SIR_MF_Zod_numExplainedPeaks
[1] 3 4 5 6 7 8 10 11 12 13 14 15 16 17 18 19 20 22 23
$SIR_MF_Zod_explainedIntensity
[1] 0.588 0.597 0.640 0.646 0.653 0.707 0.730 0.734 0.755 0.783 0.792 0.793 0.814 0.833 0.835 0.838 0.849 0.861 0.865 0.867 0.868 0.872 0.883 0.889 0.896
[26] 0.904 0.908 0.909 0.910 0.916 0.917 0.937 0.941 0.944 0.954 0.975 0.993
$SIR_MF_Zod_id
[1] "1063_CARA_HILIC_pos_SIRIUS_merge_1664" "1099_CARA_HILIC_pos_SIRIUS_merge_3193" "135_CARA_HILIC_pos_SIRIUS_merge_2059"
[4] "1378_CARA_HILIC_pos_SIRIUS_merge_6179" "1575_CARA_HILIC_pos_SIRIUS_merge_11987" "1904_CARA_HILIC_pos_SIRIUS_merge_5534"
[7] "2007_CARA_HILIC_pos_SIRIUS_merge_4192" "2178_CARA_HILIC_pos_SIRIUS_merge_1954" "2397_CARA_HILIC_pos_SIRIUS_merge_2246"
[10] "2582_CARA_HILIC_pos_SIRIUS_merge_1633" "2624_CARA_HILIC_pos_SIRIUS_merge_2856" "2705_CARA_HILIC_pos_SIRIUS_merge_7419"
[13] "2974_CARA_HILIC_pos_SIRIUS_merge_2966" "3058_CARA_HILIC_pos_SIRIUS_merge_4131" "342_CARA_HILIC_pos_SIRIUS_merge_12047"
[16] "3533_CARA_HILIC_pos_SIRIUS_merge_3108" "3576_CARA_HILIC_pos_SIRIUS_merge_3032" "3651_CARA_HILIC_pos_SIRIUS_merge_2639"
[19] "3924_CARA_HILIC_pos_SIRIUS_merge_10806" "3982_CARA_HILIC_pos_SIRIUS_merge_2968" "4109_CARA_HILIC_pos_SIRIUS_merge_622"
[22] "4238_CARA_HILIC_pos_SIRIUS_merge_7410" "459_CARA_HILIC_pos_SIRIUS_merge_2837" "4603_CARA_HILIC_pos_SIRIUS_merge_609"
[25] "4629_CARA_HILIC_pos_SIRIUS_merge_10585" "4652_CARA_HILIC_pos_SIRIUS_merge_10422" "5353_CARA_HILIC_pos_SIRIUS_merge_2528"
[28] "5577_CARA_HILIC_pos_SIRIUS_merge_3599" "5645_CARA_HILIC_pos_SIRIUS_merge_2466" "57_CARA_HILIC_pos_SIRIUS_merge_19111"
[31] "5726_CARA_HILIC_pos_SIRIUS_merge_2752" "5927_CARA_HILIC_pos_SIRIUS_merge_6048" "594_CARA_HILIC_pos_SIRIUS_merge_2753"
[34] "6010_CARA_HILIC_pos_SIRIUS_merge_3117" "6063_CARA_HILIC_pos_SIRIUS_merge_6325" "6140_CARA_HILIC_pos_SIRIUS_merge_10587"
[37] "706_CARA_HILIC_pos_SIRIUS_merge_2300" "79_CARA_HILIC_pos_SIRIUS_merge_1718" "901_CARA_HILIC_pos_SIRIUS_merge_6798"
[40] "957_CARA_HILIC_pos_SIRIUS_merge_3576"
$`SIR_MF_Zod_massErrorPrecursor(ppm)`
[1] -78255.274 -71431.567 -71429.655 -43268.507 -37979.187 -32142.543 -8.542 -7.197 -5.822 -5.464 -4.920 -4.319 -3.114
[14] -2.945 -2.408 -1.508 -1.487 -1.053 -0.184 0.175 0.333 1.464 2.131 3.033 3.894 5.135
[27] 5.272 5.853 6.987 7.890 8.011 8.484 8.545 8.736 8.823 8.838 9.017 9.217
$`SIR_MF_Zod_medianAbsoluteMassErrorFragmentPeaks(ppm)`
[1] 3.155 3.190 3.191 3.248 3.583 3.844 3.893 3.912 4.199 4.321 4.367 4.398 4.402 4.428 4.467 4.488 4.595 4.613 4.683 4.691 4.717
[22] 4.738 5.103 5.209 5.317 5.547 5.585 5.789 5.858 5.967 5.991 6.044 6.227 6.581 6.812 7.142 7.442 9.050 10.172Molecular formula distribution
parse_formula <- function(x) {
if (is.na(x)) tibble() else {
elements <- x %>% str_remove_all("[0-9]") %>% str_split("") %>% unlist()
numbers <- x %>% str_split("[A-Z]") %>% unlist %>%
.[2:length(.)] %>% if_else(. == "", "1", .) %>% as.integer()
tibble(Elements = elements, Numbers = numbers)
}
}
formula_distribution <- current_family %>%
mutate(
Parsed_Formula = SIR_MF_Zod_molecularFormula %>% map(parse_formula)
) %>%
select(FEATURE_ID, SIR_MF_Zod_molecularFormula, Parsed_Formula) %>%
unnest(Parsed_Formula) %>%
pivot_wider(names_from = Elements, values_from = Numbers, values_fill = 0)
formula_distributionPlot molecular formula distribution:
formula_distribution %>%
pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>%
ggplot() +
geom_bar(aes(Numbers)) +
facet_wrap("Elements", scales = "free")
Plot molecular formula distribution (N %in% c(1, 3)):
formula_distribution %>%
filter(N %in% c(1, 3)) %>%
pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>%
ggplot() +
geom_bar(aes(Numbers)) +
facet_wrap("Elements", scales = "free")
Plot molecular formula distribution (N == 1):
formula_distribution %>%
filter(N == 1) %>%
pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>%
ggplot() +
geom_bar(aes(Numbers)) +
facet_wrap("Elements", scales = "free")
Consensus formula (N == 1):
consensus_formula_n1 <- formula_distribution %>%
filter(N == 1) %>%
pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>%
group_by(Elements, Numbers) %>%
summarise(N = n(), .groups = "drop_last") %>%
arrange(-N) %>%
summarise(Numbers = Numbers[1])
consensus_formula_n1Exact mass from consensus formula:
consensus_formula_n1 %>%
mutate(Masses = masses[Elements] * Numbers) %>%
.$Masses %>% sum()[1] 449.3353Plot molecular formula distribution (N == 3):
formula_distribution %>%
filter(N == 3) %>%
pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>%
ggplot() +
geom_bar(aes(Numbers)) +
facet_wrap("Elements", scales = "free")
Consensus formula (N == 3):
consensus_formula_n3 <- formula_distribution %>%
filter(N == 3) %>%
pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>%
group_by(Elements, Numbers) %>%
summarise(N = n(), .groups = "drop_last") %>%
arrange(-N) %>%
summarise(Numbers = Numbers[1])
consensus_formula_n3Exact mass from consensus formula:
consensus_formula_n3 %>%
mutate(Masses = masses[Elements] * Numbers) %>%
.$Masses %>% sum()[1] 459.2862Masses
Distribution of parent masses:
current_family %>%
ggplot() +
geom_histogram(aes(`GNPS_precursor mass`), bins = 50)
Distribution of SIRIUS masses:
formula_distribution %>%
filter(N %in% c(1, 3)) %>%
pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>%
mutate(Masses = masses[Elements] * Numbers) %>%
group_by(FEATURE_ID) %>%
summarise(Masses = sum(Masses)) %>%
ggplot() +
geom_histogram(aes(Masses), bins = 50)
Figure 4: MMvec
Family X950225
X950225
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X950225")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1134_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_1494" "2084_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2715"
[3] "3464_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4479" "3470_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4486"
[5] "3491_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4508" "3636_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4688"
$CAN_molecularFormula
[1] "C22H47N7O3" "C23H45NO5" "C27H53NO5" "C27H59N7O4" "C29H55NO5"
$CAN_adduct
[1] "[M - H]-" "[M - H2O - H]-"
$`CAN_most specific class`
[1] "Amino acids and derivatives" "Fatty acid esters" "N-acyl amines"
$`CAN_level 5`
[1] "Amino acids and derivatives" "N-acyl amines"
$CAN_subclass
[1] "Amino acids, peptides, and analogues" "Fatty acid esters" "Fatty amides"
$CAN_class
[1] "Carboxylic acids and derivatives" "Fatty Acyls"
$CAN_superclass
[1] "Lipids and lipid-like molecules" "Organic acids and derivatives"
$`CAN_all classifications`
[1] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Quaternary ammonium salts; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[4] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Dicarboxylic acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[5] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Substituted imidazoles; Amines; Tertiary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
Family X950396
X950396
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X950396")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1819_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2330" "1830_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2341"
[3] "1832_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2344" "3421_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4434"
[5] "3456_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4471" "3460_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4475"
[7] "3480_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4496" "3529_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4552"
[9] "3564_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4589" "3622_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4671"
[11] "4604_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6076" "4628_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6107"
[13] "4905_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6485"
$CAN_molecularFormula
[1] "C20H45N7O7" "C22H45NO8" "C23H45NO7" "C24H51NO9" "C25H51NO8" "C26H49NO7" "C26H55NO9" "C28H51NO7" "C28H55NO7" "C30H55NO7"
$CAN_adduct
[1] "[M - H]-" "[M - H2O - H]-" "[M - H4O2 - H]-"
$`CAN_most specific class`
[1] "Alpha amino acids" "Amino acids" "Dicarboxylic acids and derivatives" "Fatty acid esters"
[5] "Fatty Acyls" "Long-chain fatty acids" "Unsaturated fatty acids"
$`CAN_level 5`
[1] "Amino acids and derivatives" "Long-chain fatty acids" "Unsaturated fatty acids"
$CAN_subclass
[1] "Amino acids, peptides, and analogues" "Dicarboxylic acids and derivatives" "Fatty acid esters"
[4] "Fatty acids and conjugates"
$CAN_class
[1] "Carboxylic acids and derivatives" "Fatty Acyls"
$CAN_superclass
[1] "Lipids and lipid-like molecules" "Organic acids and derivatives"
$`CAN_all classifications`
[1] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Amines; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Carboxylic acids; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Polyols; Glycerol ethers; Alpha amino acids; Amines; Alkanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Long-chain fatty acids; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[4] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Monoalkylamines; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Polyols; Amines; Primary amines; Alkanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[5] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Carboxylic acids; Secondary alcohols; 1,2-aminoalcohols; Polyols; Amines; Primary amines; Alkanolamines; Fatty Acyls; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[6] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Amino fatty acids; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Polyols; Amines; Primary amines; Alkanolamines; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[7] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Amines; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[8] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Amino acids and derivatives; Monoalkylamines; Amino fatty acids; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Polyols; Alpha amino acids; Amines; Primary amines; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[9] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[10] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Hydroxy fatty acids; Amino acids and derivatives; Guanidines; Monoalkylamines; Amino fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Polyols; Alpha amino acids; Amines; Primary amines; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[11] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[12] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[13] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Unsaturated fatty acids; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.4, .2))
Family X960242
X960242
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X960242")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1203_CARA_HILIC_pos_SIRIUS_merge_3423" "152_CARA_HILIC_pos_SIRIUS_merge_5050" "3084_CARA_HILIC_pos_SIRIUS_merge_5203"
[4] "385_CARA_HILIC_pos_SIRIUS_merge_9432" "4220_CARA_HILIC_pos_SIRIUS_merge_10052" "4660_CARA_HILIC_pos_SIRIUS_merge_5029"
[7] "5516_CARA_HILIC_pos_SIRIUS_merge_10101" "6170_CARA_HILIC_pos_SIRIUS_merge_2232" "6182_CARA_HILIC_pos_SIRIUS_merge_20223"
$CAN_molecularFormula
[1] "C12H23NO6" "C13H28N2O9" "C15H27NO5" "C24H44O5" "C25H47NO5" "C25H53NO7" "C26H48O5" "C27H51NO5"
$CAN_adduct
[1] "[M - H4O2 + H]+" "[M + H]+" "[M + H3N + H]+"
$`CAN_most specific class`
[1] "Diradylglycerols" "Fatty acid esters" "N-acyl amines"
$`CAN_level 5`
[1] "N-acyl amines"
$CAN_subclass
[1] "Diradylglycerols" "Fatty acid esters" "Fatty amides"
$CAN_class
[1] "Fatty Acyls" "Glycerolipids"
$CAN_superclass
[1] "Lipids and lipid-like molecules"
$`CAN_all classifications`
[1] "Organic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monosaccharides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Ethers; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Secondary alcohols; Diradylglycerols; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[4] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[5] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[6] "Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; N-acyl amines; Monosaccharides; Secondary alcohols; Carbonyl compounds; Oxanes; Polyols; Amines; Alkanolamines; Aminosaccharides; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[7] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .2))
microbeMASST
Family X940029
X940029
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X940029")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1082_CARA_C18_pos_SIRIUS_6187" "1109_CARA_C18_pos_SIRIUS_6982" "1206_CARA_C18_pos_SIRIUS_32027" "1324_CARA_C18_pos_SIRIUS_2537"
[5] "1605_CARA_C18_pos_SIRIUS_257" "1624_CARA_C18_pos_SIRIUS_1605" "1670_CARA_C18_pos_SIRIUS_23262" "1738_CARA_C18_pos_SIRIUS_7112"
[9] "1894_CARA_C18_pos_SIRIUS_33405" "1979_CARA_C18_pos_SIRIUS_23082" "1987_CARA_C18_pos_SIRIUS_4581" "1997_CARA_C18_pos_SIRIUS_325"
[13] "2112_CARA_C18_pos_SIRIUS_13939" "2142_CARA_C18_pos_SIRIUS_32065" "2148_CARA_C18_pos_SIRIUS_1815" "2176_CARA_C18_pos_SIRIUS_806"
[17] "2265_CARA_C18_pos_SIRIUS_7011" "2366_CARA_C18_pos_SIRIUS_904" "2442_CARA_C18_pos_SIRIUS_7008" "2540_CARA_C18_pos_SIRIUS_7092"
[21] "2575_CARA_C18_pos_SIRIUS_7998" "258_CARA_C18_pos_SIRIUS_23470" "2701_CARA_C18_pos_SIRIUS_3846" "2784_CARA_C18_pos_SIRIUS_33285"
[25] "2800_CARA_C18_pos_SIRIUS_970" "2832_CARA_C18_pos_SIRIUS_8686" "2852_CARA_C18_pos_SIRIUS_15127" "2941_CARA_C18_pos_SIRIUS_1121"
[29] "3016_CARA_C18_pos_SIRIUS_31853" "3207_CARA_C18_pos_SIRIUS_21872" "3328_CARA_C18_pos_SIRIUS_23263" "3466_CARA_C18_pos_SIRIUS_12466"
[33] "3506_CARA_C18_pos_SIRIUS_2126" "3555_CARA_C18_pos_SIRIUS_711" "3666_CARA_C18_pos_SIRIUS_26846" "3739_CARA_C18_pos_SIRIUS_1151"
[37] "3761_CARA_C18_pos_SIRIUS_32066" "3932_CARA_C18_pos_SIRIUS_6033" "4209_CARA_C18_pos_SIRIUS_30538" "4241_CARA_C18_pos_SIRIUS_22916"
[41] "4403_CARA_C18_pos_SIRIUS_8044" "4406_CARA_C18_pos_SIRIUS_9048" "4414_CARA_C18_pos_SIRIUS_13813" "4424_CARA_C18_pos_SIRIUS_23629"
[45] "4520_CARA_C18_pos_SIRIUS_4096" "4535_CARA_C18_pos_SIRIUS_317" "4543_CARA_C18_pos_SIRIUS_4944" "4586_CARA_C18_pos_SIRIUS_316"
[49] "4605_CARA_C18_pos_SIRIUS_21657" "4640_CARA_C18_pos_SIRIUS_4935" "4693_CARA_C18_pos_SIRIUS_28565" "4823_CARA_C18_pos_SIRIUS_22112"
[53] "4849_CARA_C18_pos_SIRIUS_21537" "5033_CARA_C18_pos_SIRIUS_2674" "506_CARA_C18_pos_SIRIUS_1746" "5168_CARA_C18_pos_SIRIUS_11469"
[57] "5170_CARA_C18_pos_SIRIUS_8127" "5220_CARA_C18_pos_SIRIUS_8186" "5442_CARA_C18_pos_SIRIUS_23481" "5503_CARA_C18_pos_SIRIUS_2192"
[61] "5516_CARA_C18_pos_SIRIUS_1123" "5532_CARA_C18_pos_SIRIUS_1238" "5540_CARA_C18_pos_SIRIUS_17947" "5544_CARA_C18_pos_SIRIUS_5637"
[65] "5546_CARA_C18_pos_SIRIUS_16766" "5789_CARA_C18_pos_SIRIUS_14465" "5842_CARA_C18_pos_SIRIUS_6355" "6067_CARA_C18_pos_SIRIUS_8679"
[69] "644_CARA_C18_pos_SIRIUS_4030" "6630_CARA_C18_pos_SIRIUS_21438" "6719_CARA_C18_pos_SIRIUS_15267" "6869_CARA_C18_pos_SIRIUS_33671"
[73] "6910_CARA_C18_pos_SIRIUS_2355" "7082_CARA_C18_pos_SIRIUS_6827" "7130_CARA_C18_pos_SIRIUS_2498" "7218_CARA_C18_pos_SIRIUS_4885"
[77] "7332_CARA_C18_pos_SIRIUS_2771" "7416_CARA_C18_pos_SIRIUS_5046" "7420_CARA_C18_pos_SIRIUS_4362" "7539_CARA_C18_pos_SIRIUS_21393"
[81] "7569_CARA_C18_pos_SIRIUS_3268" "7646_CARA_C18_pos_SIRIUS_2417" "786_CARA_C18_pos_SIRIUS_5053" "7909_CARA_C18_pos_SIRIUS_7909"
[85] "7951_CARA_C18_pos_SIRIUS_21302" "7982_CARA_C18_pos_SIRIUS_174" "8104_CARA_C18_pos_SIRIUS_5591" "88_CARA_C18_pos_SIRIUS_6238"
$CAN_molecularFormula
[1] "C15H28O2" "C15H30B2O3" "C16H34O4" "C16H35NO3" "C17H32N4" "C17H34O3" "C17H35NO2" "C17H36O2" "C17H41NO6" "C18H34O2" "C18H36O3"
[12] "C18H38O2" "C18H39NO3" "C18H39NO5" "C18H40N6O2" "C18H41NO5" "C19H36O2" "C19H36O4" "C19H38O4" "C19H39NO2" "C19H39NO3" "C19H40O2"
[23] "C19H40O3" "C19H41N3O" "C20H38O4" "C20H39N2OP" "C20H39NO2" "C20H40O4" "C20H40O5" "C20H42O2" "C20H45NO4" "C20H45NO5" "C20H47NO6"
[34] "C21H40O2" "C21H40O4" "C21H43NO5" "C21H44O6" "C21H44O7" "C21H47NO5" "C21H48N3P" "C22H36O3" "C22H42O3" "C22H43NO4" "C22H45NO3"
[45] "C22H47NO3" "C22H47NO4" "C22H48N2O2" "C22H51N7O2" "C23H43NO4" "C23H45NO3" "C23H49NO4" "C23H51NO6" "C24H43NO3" "C24H45NO5" "C24H49NO3"
[56] "C24H50O3" "C24H51NO4" "C24H53NO4" "C25H53NO4" "C26H47NO4" "C26H55NO4" "C27H36BNO" "C27H61NO6" "C29H56O4" "C29H65NO6" "C32H69N7O5"
[67] "C34H69NO4" "C34H73NO5" "C34H75N5O2" "C35H64O5" "C35H68O6" "C36H72O4" "C36H72O8" "C37H72O6" "C38H75N3"
$CAN_adduct
[1] "[M - H2O + H]+" "[M - H4O2 + H]+" "[M + H]+" "[M + H3N + H]+" "[M + K]+" "[M + Na]+"
$`CAN_most specific class`
[1] "1-monoacylglycerols" "1,2-diacylglycerols" "Amines"
[4] "Amino acids" "Amino acids and derivatives" "Amino acids, peptides, and analogues"
[7] "Azoles" "Ceramides" "Fatty acid esters"
[10] "Fatty acid methyl esters" "Fatty Acyls" "Fatty alcohols"
[13] "Fatty amides" "Glycerolipids" "Hydroxy bile acids, alcohols and derivatives"
[16] "Lineolic acids and derivatives" "Lipids and lipid-like molecules" "Long-chain fatty acids"
[19] "Long-chain fatty alcohols" "Monoacylglycerols" "Monoalkylamines"
[22] "Monoalkylglycerols" "Monoradylglycerols" "N-acyl amines"
[25] "Primary alcohols" "Sphingolipids" "Straight chain fatty acids"
[28] "Triacylglycerols" "Very long-chain fatty acids"
$`CAN_level 5`
[1] "Amino acids and derivatives" "Diacylglycerols" "Fatty acid methyl esters"
[4] "Hydroxy bile acids, alcohols and derivatives" "Long-chain fatty acids" "Long-chain fatty alcohols"
[7] "Monoacylglycerols" "Monoalkylglycerols" "N-acyl amines"
[10] "Primary alcohols" "Primary amines" "Straight chain fatty acids"
[13] "Triacylglycerols" "Very long-chain fatty acids"
$CAN_subclass
[1] "Alcohols and polyols" "Amines" "Amino acids, peptides, and analogues"
[4] "Bile acids, alcohols and derivatives" "Ceramides" "Diradylglycerols"
[7] "Fatty acid esters" "Fatty acids and conjugates" "Fatty alcohols"
[10] "Fatty amides" "Lineolic acids and derivatives" "Monoradylglycerols"
[13] "Triradylcglycerols"
$CAN_class
[1] "Azoles" "Carboxylic acids and derivatives" "Fatty Acyls" "Glycerolipids"
[5] "Organonitrogen compounds" "Organooxygen compounds" "Sphingolipids" "Steroids and steroid derivatives"
$CAN_superclass
[1] "Lipids and lipid-like molecules" "Organic acids and derivatives" "Organic nitrogen compounds" "Organic oxygen compounds"
[5] "Organoheterocyclic compounds"
$`CAN_all classifications`
[1] "Organic compounds; Alcohols and polyols; Organic acids and derivatives; Primary alcohols; Organooxygen compounds; Organometallic compounds; Organometalloid compounds; Organoboron compounds; Organic salts; Organic metalloid salts; Organic metal salts; Hydrocarbon derivatives; Alkylboranes; Organic oxygen compounds; Chemical entities"
[2] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Unsaturated fatty acids; Amino fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[4] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[5] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[6] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Straight chain fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[7] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[8] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Ethers; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Secondary alcohols; Polyols; Glycerol ethers; 1,2-diols; Monoalkylglycerols; Monoradylglycerols; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[9] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; N-acyl amines; Monoacylglycerols; Monocarboxylic acids and derivatives; Carboxylic acid esters; 1-monoacylglycerols; Secondary alcohols; Carbonyl compounds; Amines; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[10] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Bile acids, alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[11] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[12] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[13] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Fatty amides; Carboxylic acid derivatives; Monoacylglycerols; Monocarboxylic acids and derivatives; Carboxylic acid esters; 1-monoacylglycerols; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[14] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Fatty amides; Monoalkylamines; Carboxylic acid amides; Lineolic acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[15] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Polyols; Amines; Primary amines; Alkanolamines; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[16] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Triacylglycerols; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Triradylcglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[17] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monoacylglycerols; Monocarboxylic acids and derivatives; Carboxylic acid esters; 1-monoacylglycerols; Secondary alcohols; Carbonyl compounds; Polyols; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[18] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monoacylglycerols; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[19] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[20] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Diacylglycerols; Carboxylic acid esters; 1,2-diacylglycerols; Carbonyl compounds; Diradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[21] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Lineolic acids and derivatives; Carboxylic acid derivatives; Monoacylglycerols; Monocarboxylic acids and derivatives; Carboxylic acid esters; 1-monoacylglycerols; Carbonyl compounds; Polyols; 1,2-diols; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[22] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Secondary alcohols; 1,2-aminoalcohols; Polyols; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[23] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Amines; Alkanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[24] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[25] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[26] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[27] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[28] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acylethanolamines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Alkanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[29] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[30] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[31] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Carbonyl compounds; Amines; Primary amines; Alkanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[32] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[33] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Fatty alcohols; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[34] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Fatty alcohols; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[35] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Fatty alcohols; Secondary alcohols; Carbonyl compounds; Methyl esters; Fatty acid methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[36] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[37] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Lineolic acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Fatty alcohols; Secondary alcohols; Carbonyl compounds; Polyols; Methyl esters; Fatty acid methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[38] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Lineolic acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; 1,2-diols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[39] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[40] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organooxygen compounds; Fatty alcohols; Fatty Acyls; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[41] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Primary alcohols; Organooxygen compounds; Fatty alcohols; Fatty Acyls; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[42] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Primary alcohols; Organooxygen compounds; Fatty alcohols; Secondary alcohols; Long-chain fatty alcohols; Fatty Acyls; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[43] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Primary alcohols; Organooxygen compounds; Fatty alcohols; Secondary alcohols; Polyols; Fatty Acyls; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[44] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[45] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[46] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Ceramides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[47] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Ceramides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[48] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Ceramides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[49] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[50] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Amines; Primary amines; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[51] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[52] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty acid esters; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Monoacylglycerols; Monocarboxylic acids and derivatives; Carboxylic acid esters; 1-monoacylglycerols; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[53] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Amines; Primary amines; Alkanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[54] "Organic compounds; Lipids and lipid-like molecules; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino fatty acids; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[55] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Methyl esters; Fatty acid methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[56] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Methyl esters; Fatty acid methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[57] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[58] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid derivatives; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[59] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[60] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Primary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[61] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[62] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Methyl esters; Fatty acid methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[63] "Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Methyl esters; Fatty acid methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[64] "Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Monoalkylamines; Amines; Primary amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[65] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Organonitrogen compounds; Organooxygen compounds; Organometallic compounds; Organometalloid compounds; Organoboron compounds; Organic salts; Organic metalloid salts; Organic metal salts; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Alkylboranes; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[66] "Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Azoles; Amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic nitrogen compounds; Chemical entities"
[67] "Organic compounds; Organonitrogen compounds; Amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic nitrogen compounds; Chemical entities"
[68] "Organic compounds; Organonitrogen compounds; Monoalkylamines; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic nitrogen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
Family X950190
X950190
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X950190")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1803_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2314" "1844_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2359"
[3] "2066_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2693" "2969_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_3831"
[5] "3454_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4469" "3473_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4489"
[7] "3537_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4562" "3676_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4738"
[9] "3734_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4809" "3768_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4855"
[11] "4173_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5458" "4398_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5760"
[13] "4443_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5810" "4447_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5814"
[15] "4449_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5816" "4450_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5817"
[17] "4865_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6435" "5175_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6893"
[19] "5181_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6899"
$CAN_molecularFormula
[1] "C19H38N6O5" "C19H40O7" "C21H35O3P" "C21H42O7" "C23H43O5P" "C27H53NO7" "C27H56N2O11" "C34H67N3O5" "C34H68O7" "C36H66O6"
[11] "C36H66O7" "C36H68O6" "C36H72O8" "C38H68O7" "C44H93NO7" "C47H80O9"
$CAN_adduct
[1] "[M - H]-" "[M - H2O - H]-" "[M - H4O2 - H]-"
$`CAN_most specific class`
[1] "Alpha amino acids" "Alpha amino acids and derivatives" "Amino acids" "Fatty acid esters"
[5] "Glycerophospholipids" "Glycosphingolipids" "Lineolic acids and derivatives" "Long-chain fatty acids"
[9] "N-acyl amines" "Very long-chain fatty acids"
$`CAN_level 5`
[1] "Amino acids and derivatives" "Long-chain fatty acids" "N-acyl amines" "Very long-chain fatty acids"
$CAN_subclass
[1] "Amino acids, peptides, and analogues" "Fatty acid esters" "Fatty acids and conjugates"
[4] "Fatty amides" "Glycosphingolipids" "Lineolic acids and derivatives"
$CAN_class
[1] "Carboxylic acids and derivatives" "Fatty Acyls" "Glycerophospholipids" "Sphingolipids"
$CAN_superclass
[1] "Lipids and lipid-like molecules" "Organic acids and derivatives"
$`CAN_all classifications`
[1] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Glycosphingolipids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Monoalkylamines; Amino fatty acids; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Unsaturated fatty acids; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Long-chain fatty acids; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[4] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Branched fatty acids; Hydroxy fatty acids; Carboxylic acid derivatives; Carboxylic acids; Tertiary alcohols; Carbonyl compounds; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[5] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Long-chain fatty acids; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[6] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[7] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Long-chain fatty acids; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[8] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Lineolic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Carbonyl compounds; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[9] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Long-chain fatty acids; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[10] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Polyols; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[11] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Unsaturated fatty acids; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Polyols; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[12] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Hydroxy fatty acids; Amino acids and derivatives; Guanidines; Monoalkylamines; Amino fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Amines; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[13] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Medium-chain fatty acids; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[14] "Organic compounds; Lipids and lipid-like molecules; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Lineolic acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[15] "Organic compounds; Lipids and lipid-like molecules; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carbonyl compounds; Long-chain fatty acids; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[16] "Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Alkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[17] "Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Monosaccharides; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Polyols; Alpha amino acids; Amines; Primary amines; Alkanolamines; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[18] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.4, .2))
Family X940005
X940005
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X940005")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1047_CARA_C18_pos_SIRIUS_33016" "106_CARA_C18_pos_SIRIUS_20386" "1326_CARA_C18_pos_SIRIUS_1397" "1376_CARA_C18_pos_SIRIUS_2985"
[5] "1421_CARA_C18_pos_SIRIUS_28222" "1447_CARA_C18_pos_SIRIUS_911" "1498_CARA_C18_pos_SIRIUS_2187" "1635_CARA_C18_pos_SIRIUS_27382"
[9] "1660_CARA_C18_pos_SIRIUS_3189" "1760_CARA_C18_pos_SIRIUS_448" "1928_CARA_C18_pos_SIRIUS_1215" "2205_CARA_C18_pos_SIRIUS_10909"
[13] "2207_CARA_C18_pos_SIRIUS_1318" "2222_CARA_C18_pos_SIRIUS_29520" "229_CARA_C18_pos_SIRIUS_849" "2386_CARA_C18_pos_SIRIUS_11450"
[17] "2411_CARA_C18_pos_SIRIUS_1164" "2440_CARA_C18_pos_SIRIUS_447" "2533_CARA_C18_pos_SIRIUS_3634" "256_CARA_C18_pos_SIRIUS_1942"
[21] "2601_CARA_C18_pos_SIRIUS_2579" "2647_CARA_C18_pos_SIRIUS_2252" "2667_CARA_C18_pos_SIRIUS_26142" "2710_CARA_C18_pos_SIRIUS_12658"
[25] "2846_CARA_C18_pos_SIRIUS_23545" "2893_CARA_C18_pos_SIRIUS_441" "2910_CARA_C18_pos_SIRIUS_4662" "2990_CARA_C18_pos_SIRIUS_12614"
[29] "3040_CARA_C18_pos_SIRIUS_1814" "3092_CARA_C18_pos_SIRIUS_1440" "3333_CARA_C18_pos_SIRIUS_11201" "3572_CARA_C18_pos_SIRIUS_12218"
[33] "3677_CARA_C18_pos_SIRIUS_4252" "4070_CARA_C18_pos_SIRIUS_12482" "4098_CARA_C18_pos_SIRIUS_610" "4170_CARA_C18_pos_SIRIUS_12703"
[37] "4173_CARA_C18_pos_SIRIUS_24117" "4606_CARA_C18_pos_SIRIUS_7366" "4768_CARA_C18_pos_SIRIUS_13456" "487_CARA_C18_pos_SIRIUS_1852"
[41] "4992_CARA_C18_pos_SIRIUS_20385" "5014_CARA_C18_pos_SIRIUS_2276" "5024_CARA_C18_pos_SIRIUS_11498" "5025_CARA_C18_pos_SIRIUS_24475"
[45] "5042_CARA_C18_pos_SIRIUS_2352" "5057_CARA_C18_pos_SIRIUS_29529" "5140_CARA_C18_pos_SIRIUS_12241" "5189_CARA_C18_pos_SIRIUS_407"
[49] "521_CARA_C18_pos_SIRIUS_4602" "5217_CARA_C18_pos_SIRIUS_20358" "5246_CARA_C18_pos_SIRIUS_944" "5257_CARA_C18_pos_SIRIUS_12468"
[53] "5369_CARA_C18_pos_SIRIUS_11474" "5382_CARA_C18_pos_SIRIUS_30181" "57_CARA_C18_pos_SIRIUS_3241" "5945_CARA_C18_pos_SIRIUS_32969"
[57] "609_CARA_C18_pos_SIRIUS_13313" "6110_CARA_C18_pos_SIRIUS_23564" "6117_CARA_C18_pos_SIRIUS_25759" "6122_CARA_C18_pos_SIRIUS_24538"
[61] "617_CARA_C18_pos_SIRIUS_741" "6307_CARA_C18_pos_SIRIUS_31480" "6424_CARA_C18_pos_SIRIUS_25174" "6483_CARA_C18_pos_SIRIUS_1410"
[65] "681_CARA_C18_pos_SIRIUS_2353" "6828_CARA_C18_pos_SIRIUS_28194" "6990_CARA_C18_pos_SIRIUS_1035" "7097_CARA_C18_pos_SIRIUS_34886"
[69] "7114_CARA_C18_pos_SIRIUS_641" "7210_CARA_C18_pos_SIRIUS_21067" "7235_CARA_C18_pos_SIRIUS_11470" "7247_CARA_C18_pos_SIRIUS_625"
[73] "7430_CARA_C18_pos_SIRIUS_5371" "772_CARA_C18_pos_SIRIUS_24142" "7926_CARA_C18_pos_SIRIUS_21018" "8051_CARA_C18_pos_SIRIUS_28810"
[77] "8079_CARA_C18_pos_SIRIUS_20364"
$CAN_molecularFormula
[1] "C11H27N5O3" "C13H31N5O4" "C15H35N5O5" "C15H40N6O4" "C16H36O4" "C16H38N6O3" "C16H43N7O5" "C17H39N5" "C18H40O7S" "C18H41N5"
[11] "C18H47N7O3" "C18H49N7O6" "C19H34O8" "C19H39N5O7" "C19H41F2NO" "C20H45B2NO5" "C20H45N5O" "C20H45N5O2" "C20H49N7O3" "C21H39BO4"
[21] "C21H39N3O" "C21H40F2" "C21H41N5O7" "C21H47N5O3" "C21H48O7" "C22H47N15O4" "C22H47N5O3" "C22H49N5O" "C22H49N5O3" "C23H47N5O2"
[31] "C23H51N5O2" "C23H51N5O4" "C24H44BNO4" "C24H49B2NO4" "C24H51N5O4" "C24H53N5O2" "C25H51N5O10" "C25H55N5O" "C26H51BN2O5" "C26H57NO8"
[41] "C26H59NO7" "C27H55N5O5" "C27H57N5O5" "C28H55N5O4" "C28H55N9O7" "C28H61N5O5" "C29H59N5O5" "C29H59N5O7" "C29H61N11O2" "C29H61N5O4"
[51] "C30H59N15O8" "C30H59N5O5" "C30H65NO10" "C31H58N4O6" "C31H59NO3S" "C31H65N11O5" "C31H65N5O4" "C31H65N5O6" "C31H65N5O7" "C31H67N5O5"
[61] "C32H45N5O4" "C32H51NO3" "C33H59N7O10" "C33H62N4O7" "C33H67N5O7" "C34H71N5O9" "C35H46N4O4" "C35H66N4O8" "C35H69N9O4" "C36H69NO5S"
[71] "C38H71N3O4" "C38H77N3O12" "C43H73NO7" "C44H77NO9"
$CAN_adduct
[1] "[M - H2O + H]+" "[M - H4O2 + H]+" "[M + H]+" "[M + H3N + H]+" "[M + Na]+"
$`CAN_most specific class`
[1] "1,2-aminoalcohols" "Alcohols and polyols"
[3] "Alkanolamines" "Alkyl aryl ethers"
[5] "Alpha amino acid amides" "Amino acids and derivatives"
[7] "Aminopyrimidines and derivatives" "Aralkylamines"
[9] "Azoles" "Benzenoids"
[11] "Carboxylic acid esters" "Cyclohexylamines"
[13] "Dialkyl ethers" "Dipeptides"
[15] "Ethers" "Fatty acyl glycosides of mono- and disaccharides"
[17] "Fatty amides" "Glycerolipids"
[19] "Heteroaromatic compounds" "Hydrofluorocarbons"
[21] "Lipids and lipid-like molecules" "Monoalkylamines"
[23] "Monocarboxylic acids and derivatives" "Monoradylglycerols"
[25] "Monosaccharides" "N-acyl-alpha amino acids and derivatives"
[27] "N-acyl amines" "Oligopeptides"
[29] "Peptides" "Secondary alcohols"
[31] "Secondary carboxylic acid amides" "Sphingolipids"
[33] "Triacylglycerols" "Triradylcglycerols"
$`CAN_level 5`
[1] "Alkanolamines" "Alkyl aryl ethers"
[3] "Amino acids and derivatives" "Aminopyrimidines and derivatives"
[5] "Aralkylamines" "Carboxylic acid amides"
[7] "Carboxylic acid esters" "Dialkyl ethers"
[9] "Fatty acyl glycosides of mono- and disaccharides" "Hydrofluorocarbons"
[11] "Monosaccharides" "N-acyl amines"
[13] "Peptides" "Primary amines"
[15] "Secondary alcohols" "Triacylglycerols"
$CAN_subclass
[1] "Alcohols and polyols" "Alkyl chlorides" "Amines"
[4] "Amino acids, peptides, and analogues" "Carbohydrates and carbohydrate conjugates" "Carboxylic acid derivatives"
[7] "Cyclohexylamines" "Ethers" "Fatty acyl glycosides"
[10] "Fatty amides" "Monocarboxylic acids and derivatives" "Monoradylglycerols"
[13] "Pyrimidines and pyrimidine derivatives" "Triradylcglycerols"
$CAN_class
[1] "Alkyl halides" "Azoles" "Carboxylic acids and derivatives" "Diazines"
[5] "Fatty Acyls" "Glycerolipids" "Heteroaromatic compounds" "Organonitrogen compounds"
[9] "Organooxygen compounds" "Sphingolipids"
$CAN_superclass
[1] "Benzenoids" "Lipids and lipid-like molecules" "Organic acids and derivatives" "Organic nitrogen compounds"
[5] "Organic oxygen compounds" "Organohalogen compounds" "Organoheterocyclic compounds"
$`CAN_all classifications`
[1] "Organic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Organometallic compounds; Monoalkylamines; Dialkyl ethers; Organometalloid compounds; Amines; Organoboron compounds; Organic salts; Organic metalloid salts; Organic metal salts; Hydrocarbon derivatives; Organopnictogen compounds; Alkylboranes; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Dialkyl ethers; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[4] "Organic compounds; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Primary alcohols; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfuric acid monoesters; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[5] "Organic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[6] "Organic compounds; Alcohols and polyols; Organohalogen compounds; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Alkyl fluorides; Organofluorides; Secondary alcohols; Amines; Primary amines; Alkyl halides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[7] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[8] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Guanidines; Monoalkylamines; 1,2-aminoalcohols; Amines; Primary amines; Alkanolamines; Carboximidamides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[9] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Guanidines; Monoalkylamines; 1,2-aminoalcohols; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[10] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; 1,2-aminoalcohols; Alpha amino acid amides; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[11] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[12] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Aminopyrimidines and derivatives; Amines; Primary amines; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[13] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Monosaccharides; Secondary alcohols; 1,2-aminoalcohols; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[14] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Secondary alcohols; 1,2-aminoalcohols; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[15] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Secondary alcohols; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[16] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Secondary alcohols; Amines; Primary amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[17] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Secondary alcohols; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[18] "Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Organometallic compounds; Monoalkylamines; Organometalloid compounds; Secondary alcohols; 1,2-aminoalcohols; Amines; Primary amines; Alkanolamines; Organoboron compounds; Organic salts; Organic metalloid salts; Organic metal salts; Hydrocarbon derivatives; Organopnictogen compounds; Alkylboranes; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[19] "Organic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[20] "Organic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Ethers; Sphingolipids; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Dialkyl ethers; Monosaccharides; Secondary alcohols; 1,2-aminoalcohols; Polyols; Amines; Primary amines; Alkanolamines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[21] "Organic compounds; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Organometallic compounds; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Organometalloid compounds; Amines; Primary amines; Organoboron compounds; Organic salts; Organic metalloid salts; Organic metal salts; Hydrocarbon derivatives; Organopnictogen compounds; Alkylboranes; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[22] "Organic compounds; Ethers; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Organometallic compounds; Monoalkylamines; Dialkyl ethers; Organometalloid compounds; Amines; Primary amines; Organoboron compounds; Organic salts; Organic metalloid salts; Organic metal salts; Hydrocarbon derivatives; Organopnictogen compounds; Alkylboranes; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[23] "Organic compounds; Ethers; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Secondary carboxylic acid amides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[24] "Organic compounds; Ethers; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[25] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[26] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Aralkylamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[27] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Carboxylic acid derivatives; Dialkyl ethers; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[28] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; N-acyl amines; Dialkyl ethers; Secondary carboxylic acid amides; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[29] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Monoalkylamines; Dialkyl ethers; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[30] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Peptides; Monoalkylamines; N-acyl amines; Dialkyl ethers; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[31] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Dialkyl ethers; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[32] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Dialkyl ethers; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[33] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monoalkylamines; Dialkyl ethers; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Alkanolamines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[34] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[35] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Triacylglycerols; Secondary alcohols; Polyols; Triradylcglycerols; Fatty Acyls; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[36] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[37] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[38] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[39] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Fatty amides; N-acyl amines; Secondary alcohols; Amines; Primary amines; Alkanolamines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[40] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Peptides; Monoalkylamines; N-acyl amines; Alpha amino acid amides; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[41] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Monoalkylamines; Carboxylic acid amides; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[42] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Monoalkylamines; N-acyl amines; Secondary alcohols; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[43] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Peptides; Monoalkylamines; Carboxylic acid amides; N-acyl amines; Secondary alcohols; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[44] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[45] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[46] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Serine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities"
[47] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities"
[48] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities"
[49] "Organic compounds; Lipids and lipid-like molecules; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; N-acyl amines; Secondary carboxylic acid amides; Alpha amino acid amides; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[50] "Organic compounds; Lipids and lipid-like molecules; Glycerolipids; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Carbonyl compounds; Amines; Triradylcglycerols; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[51] "Organic compounds; Lipids and lipid-like molecules; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Monoalkylamines; Amines; Primary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[52] "Organic compounds; Lipids and lipid-like molecules; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Trialkylamines; Amines; Primary amines; Tertiary amines; Fatty Acyls; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[53] "Organic compounds; Organic acids and derivatives; Organooxygen compounds; Organometallic compounds; Monocarboxylic acids and derivatives; Organometalloid compounds; Organoboron compounds; Organic salts; Organic metalloid salts; Organic metal salts; Hydrocarbon derivatives; Alkylboranes; Organic oxygen compounds; Chemical entities"
[54] "Organic compounds; Organohalogen compounds; Alkyl chlorides; Alkyl fluorides; Organofluorides; Alkyl halides; Hydrocarbon derivatives; Hydrofluorocarbons; Chemical entities"
[55] "Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid amides; Dialkyl ethers; Secondary carboxylic acid amides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[56] "Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Primary alcohols; Organooxygen compounds; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Fatty acyl glycosides; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Fatty acyl glycosides of mono- and disaccharides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[57] "Organic compounds; Organoheterocyclic compounds; Ethers; Organonitrogen compounds; Organooxygen compounds; Dialkyl ethers; Trialkylamines; Benzenoids; Amines; Tertiary amines; Aralkylamines; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[58] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities"
[59] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Azoles; Monoalkylamines; Amines; Primary amines; Tertiary amines; Fatty Acyls; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[60] "Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Organooxygen compounds; Azoles; Monoalkylamines; Amines; Primary amines; Cyclohexylamines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[61] "Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Benzenoids; Amines; Primary amines; Aralkylamines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[62] "Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Monoalkylamines; Amines; Primary amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[63] "Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alkyl aryl ethers; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Aminopyrimidines and derivatives; Diazines; Trialkylamines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Aralkylamines; Fatty Acyls; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[64] "Organic compounds; Organonitrogen compounds; Monoalkylamines; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic nitrogen compounds; Chemical entities"
[65] "Organic compounds; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Amines; Primary amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[66] "Organic compounds; Organosulfur compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Thioethers; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Sulfenyl compounds; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[67] "Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Thioethers; Secondary carboxylic acid amides; Carbonyl compounds; Thiophenol ethers; Amines; Sulfenyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Aryl thioethers; Organic nitrogen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .2))
Family X950167
X950167
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X950167")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "1783_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2291" "1816_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2327"
[3] "1837_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2350" "186_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_389"
[5] "188_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_391" "193_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_396"
[7] "194_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_397" "1962_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2548"
[9] "197_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_400" "199_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_402"
[11] "2227_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2921" "4224_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5524"
[13] "4461_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5833" "4543_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5972"
[15] "4702_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6236" "5068_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6736"
$CAN_molecularFormula
[1] "C14H30O5S" "C15H34O6S" "C16H38O7S" "C16H38O8S" "C17H40O7S" "C18H30O6" "C18H40O6S" "C18H40O7S" "C20H36O7" "C20H42O6S"
$CAN_adduct
[1] "[M - H]-" "[M - H2O - H]-" "[M - H4O2 - H]-"
$`CAN_most specific class`
[1] "Alkanesulfonic acids" "Glycerol ethers" "Long-chain fatty acids"
[4] "Prostaglandins and related compounds" "Sulfuric acid monoesters"
$`CAN_level 5`
[1] "Alkanesulfonic acids and derivatives" "Long-chain fatty acids" "Prostaglandins and related compounds"
[4] "Sulfuric acid monoesters"
$CAN_subclass
[1] "Eicosanoids" "Fatty acids and conjugates" "Glycerol ethers"
[4] "Organosulfonic acids and derivatives" "Sulfuric acid esters"
$CAN_class
[1] "Fatty Acyls" "Glycerolipids" "Organic sulfonic acids and derivatives"
[4] "Organic sulfuric acids and derivatives"
$CAN_superclass
[1] "Lipids and lipid-like molecules" "Organic acids and derivatives"
$`CAN_all classifications`
[1] "Organic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfuric acid monoesters; Secondary alcohols; Polyols; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[2] "Organic compounds; Alcohols and polyols; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfuric acid monoesters; Carbonyl compounds; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[3] "Organic compounds; Alcohols and polyols; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfuric acid monoesters; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[4] "Organic compounds; Ethers; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Dialkyl ethers; Sulfuric acid monoesters; Glycerol ethers; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[5] "Organic compounds; Ethers; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Dialkyl ethers; Sulfuric acid monoesters; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[6] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Polyols; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[7] "Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Hydroxy fatty acids; Eicosanoids; Prostaglandins and related compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Polyols; Cyclopentanols; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[8] "Organic compounds; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfuric acid monoesters; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[9] "Organic compounds; Organic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfuric acid monoesters; Sulfuric acid esters; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[10] "Organic compounds; Organic acids and derivatives; Primary alcohols; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfuric acid monoesters; Sulfuric acid esters; Alkyl sulfates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities"
[11] "Organic compounds; Organosulfur compounds; Organic acids and derivatives; Organosulfonic acids and derivatives; Organooxygen compounds; Sulfonyls; Organosulfonic acids; Alkanesulfonic acids and derivatives; Alkanesulfonic acids; Organic oxides; Hydrocarbon derivatives; Organic sulfonic acids and derivatives; Organic oxygen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
Family X950477
X950477
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X950477")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "2129_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_2779" "2315_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_3038"
[3] "2399_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_3142" "2417_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_3162"
[5] "2802_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_3612" "3681_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4745"
[7] "3808_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_4909" "3992_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5202"
[9] "4249_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_5561" "4641_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6141"
[11] "4738_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6282" "4747_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6291"
[13] "4766_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6314" "4830_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6393"
[15] "5086_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_6764" "5282_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_7049"
[17] "5303_C18_neg_6_nodupl_gapfil35_25ppm_SIRIUS_charge0_r_7076"
$CAN_molecularFormula
[1] "C10H18N2O5" "C11H20N4O7" "C11H22N2O6" "C11H24BClN2O4" "C15H31N7O3" "C16H36N8O4" "C17H34N2O5" "C17H40N8O5" "C18H38N2O6"
[10] "C19H38N2O5" "C20H32BN3O2" "C20H38N2O4" "C20H40N2O6" "C21H42N2O6" "C23H47NO7" "C6H10N8O4" "C7H15F3N4O4"
$CAN_adduct
[1] "[M - H]-" "[M - H2O - H]-" "[M - H4O2 - H]-"
$`CAN_most specific class`
[1] "Alpha amino acids" "Alpha amino acids and derivatives" "Amino acids and derivatives" "Dipeptides"
[5] "Gamma-glutamyl amino acids" "Histidine and derivatives" "N-acyl-alpha amino acids" "N-acyl-L-alpha-amino acids"
[9] "Oligopeptides"
$`CAN_level 5`
[1] "Amino acids and derivatives" "Peptides"
$CAN_subclass
[1] "Amino acids, peptides, and analogues"
$CAN_class
[1] "Carboxylic acids and derivatives"
$CAN_superclass
[1] "Organic acids and derivatives"
$`CAN_all classifications`
[1] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[3] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Amino fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Alpha amino acids; Amines; Primary amines; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[4] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Hydroxy acids and derivatives; Amino fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Alpha amino acids; Amines; Primary amines; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[5] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organohalogen compounds; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Organometallic compounds; Monoalkylamines; Halogenated fatty acids; Boronic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Organometalloid compounds; Organochlorides; Carbonyl compounds; Alpha amino acids; Amines; Primary amines; Organoboron compounds; Organic salts; Fatty Acyls; Organic oxides; Organic metalloid salts; Organic metal salts; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Alkylboranes; Monoalkylboranes; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[6] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Gamma-glutamyl amino acids; Fatty Acyls; Organic oxides; N-acyl-L-alpha-amino acids; Hydrocarbon derivatives; Glutamine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[7] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[8] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Carboximidamides; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Glutamine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities"
[9] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Alpha amino acids; Amines; Primary amines; Gamma-glutamyl amino acids; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; N-acyl-L-alpha-amino acids; Hydrocarbon derivatives; Amino acids; Glutamine and derivatives; Glutamic acid and derivatives; Leucine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities"
[10] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Aspartic acid and derivatives; Leucine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities"
[11] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Dicarboxylic acids and derivatives; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Long-chain fatty acids; Fatty Acyls; Organic oxides; N-acyl-L-alpha-amino acids; Hydrocarbon derivatives; Amino acids; Glutamine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[12] "Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Glutamic acid and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities"
[13] "Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[14] "Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Guanidines; Carboxylic acids; Carbonyl compounds; Amines; Primary amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[15] "Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Organometallic compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Organometalloid compounds; Benzenoids; Organoboron compounds; Organic salts; Organic oxides; Organic metalloid salts; Organic metal salts; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Alkylboranes; Monoalkylboranes; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[16] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Azoles; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Imidazolyl carboxylic acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Substituted imidazoles; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; N-acyl-L-alpha-amino acids; Hydrocarbon derivatives; Amino acids; Histidine and derivatives; Glutamic acid and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities"
[17] "Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organohalogen compounds; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monoalkylamines; Alkyl fluorides; Monocarboxylic acids and derivatives; Carboxylic acids; Imidazolyl carboxylic acids and derivatives; Organofluorides; Carbonyl compounds; Substituted imidazoles; Alpha amino acids; Amines; Primary amines; Alkyl halides; Aralkylamines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Histidine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities" word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.4, .2))
Family X970034
X970034
Canopus
Canopus annotations:
current_family <- feature_info %>%
filter(FAMILY_ID == "X970034")
current_family %>%
select(starts_with("CAN_")) %>%
lapply(sort) %>% lapply(unique)$CAN_name
[1] "4358_CARA_HILIC_neg_SIRIUS_charge0_removed_3447" "4592_CARA_HILIC_neg_SIRIUS_charge0_removed_7821" "4844_CARA_HILIC_neg_SIRIUS_charge0_removed_3360"
$CAN_molecularFormula
[1] "C14H27FN6O4" "C17H28O3S" "C19H34O4S"
$CAN_adduct
[1] "[M - H]-" "[M - H2O - H]-" "[M - H4O2 - H]-"
$`CAN_most specific class`
[1] "Aryl fluorides" "Benzenesulfonic acids and derivatives"
$`CAN_level 5`
character(0)
$CAN_subclass
[1] "Aryl fluorides" "Benzenesulfonic acids and derivatives"
$CAN_class
[1] "Aryl halides" "Benzene and substituted derivatives"
$CAN_superclass
[1] "Benzenoids" "Organohalogen compounds"
$`CAN_all classifications`
[1] "Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organohalogen compounds; Organonitrogen compounds; Organooxygen compounds; Azoles; Aryl fluorides; Organofluorides; Secondary alcohols; Polyols; Substituted imidazoles; N-substituted imidazoles; Amines; Aryl halides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities"
[2] "Organic compounds; Organosulfur compounds; Benzenesulfonic acids and derivatives; Organic acids and derivatives; Organosulfonic acids and derivatives; Sulfonyls; Organosulfonic acids; Arylsulfonic acids and derivatives; Benzene and substituted derivatives; Benzenoids; Arylsufonic acids; 1-sulfo,2-unsubstituted aromatic compounds; Organic oxides; Hydrocarbon derivatives; Benzenesulfonyl compounds; Organic sulfonic acids and derivatives; Organic oxygen compounds; Chemical entities"
[3] "Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Benzenesulfonic acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organosulfonic acids and derivatives; Organooxygen compounds; Branched fatty acids; Monocarboxylic acids and derivatives; Sulfonyls; Organosulfonic acids; Carboxylic acids; Carbonyl compounds; Arylsulfonic acids and derivatives; Benzene and substituted derivatives; Benzenoids; Arylsufonic acids; 1-sulfo,2-unsubstituted aromatic compounds; Medium-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Benzenesulfonyl compounds; Organic sulfonic acids and derivatives; Organic oxygen compounds; Chemical entities"word_freq <- tibble(
Words = current_family$CAN_subclass
) %>%
filter(!is.na(Words)) %>%
mutate(Words = Words %>% str_remove_all("\"")) %>%
group_by(Words) %>%
summarize(Freq = n()) %>%
arrange(-Freq)
word_freqwordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .2))
---
title: "GNPS Node Annotations"
output: html_notebook
---

```{r}
library(tidyverse)
library(wordcloud)

rm(list=ls(all=TRUE))
masses <- c(C = 12, H = 1.007825, N = 14.00307400443, O = 15.99491461957, P = 30.973761998, S = 31.9720711744)
```

# Feature metadata

Read feature annotations from file:
```{r}
feature_info <- rbind(
  read_tsv("Feature_metadata/C18neg_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>% 
    mutate(FEATURE_ID = paste0("X95", formatC(`#featureID`,        width = 5, flag = "0", format = "d"))) %>% 
    mutate(FAMILY_ID   = paste0("X95", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d"))),
  read_tsv("Feature_metadata/C18pos_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>% 
    mutate(FEATURE_ID = paste0("X94", formatC(`#featureID`,        width = 5, flag = "0", format = "d"))) %>% 
    mutate(FAMILY_ID   = paste0("X94", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d"))),
  read_tsv("Feature_metadata/HILICneg_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>% 
    mutate(FEATURE_ID = paste0("X97", formatC(`#featureID`,        width = 5, flag = "0", format = "d"))) %>% 
    mutate(FAMILY_ID   = paste0("X97", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d"))),
  read_tsv("Feature_metadata/HILICpos_feature_metadata_consolidated_is_microbial.tsv", guess_max = 100000) %>% 
    mutate(FEATURE_ID = paste0("X96", formatC(`#featureID`,        width = 5, flag = "0", format = "d"))) %>% 
    mutate(FAMILY_ID   = paste0("X96", formatC(GNPS_componentindex, width = 4, flag = "0", format = "d")))
  ) %>% 
  mutate(FAMILY_ID = if_else(str_detect(FAMILY_ID, "-001$"), "Singleton", FAMILY_ID))
```

# Figure 3: GNPS
## Family X960074

![X960074](Cytoscape/960074 Phosphosphingolipids.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X960074")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
```

### Molecular formulas

SIRIUS/Zodiac annotations:
```{r}
current_family %>% 
  select(starts_with("SIR")) %>% 
  lapply(sort) %>% lapply(unique)
```

Molecular formula distribution
```{r}
parse_formula <- function(x) {
  if (is.na(x)) tibble() else {
    elements <- x %>% str_remove_all("[0-9]") %>% str_split("") %>% unlist()
    numbers  <- x %>% str_split("[A-Z]") %>% unlist %>% 
      .[2:length(.)] %>% if_else(. == "", "1", .) %>% as.integer()
    tibble(Elements = elements, Numbers = numbers)
  }
}

formula_distribution <- current_family %>% 
  mutate(
    Parsed_Formula = SIR_MF_Zod_molecularFormula %>% map(parse_formula)
  ) %>% 
  select(FEATURE_ID, SIR_MF_Zod_molecularFormula, Parsed_Formula) %>% 
  unnest(Parsed_Formula) %>% 
  pivot_wider(names_from = Elements, values_from = Numbers, values_fill = 0)

formula_distribution
```

Plot molecular formula distribution:
```{r}
formula_distribution %>% 
  pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>% 
  ggplot() +
  geom_bar(aes(Numbers)) +
  facet_wrap("Elements", scales = "free")
```

Plot molecular formula distribution (N %in% c(1, 3)):
```{r}
formula_distribution %>% 
  filter(N %in% c(1, 3)) %>% 
  pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>% 
  ggplot() +
  geom_bar(aes(Numbers)) +
  facet_wrap("Elements", scales = "free")
```

Plot molecular formula distribution (N == 1):
```{r}
formula_distribution %>% 
  filter(N == 1) %>% 
  pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>% 
  ggplot() +
  geom_bar(aes(Numbers)) +
  facet_wrap("Elements", scales = "free")
```

Consensus formula (N == 1):
```{r}
consensus_formula_n1 <- formula_distribution %>% 
  filter(N == 1) %>% 
  pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>% 
  group_by(Elements, Numbers) %>% 
  summarise(N = n(), .groups = "drop_last") %>% 
  arrange(-N) %>% 
  summarise(Numbers = Numbers[1])

consensus_formula_n1
```

Exact mass from consensus formula:
```{r}
consensus_formula_n1 %>% 
  mutate(Masses = masses[Elements] * Numbers) %>% 
  .$Masses %>% sum()
```

Plot molecular formula distribution (N == 3):
```{r}
formula_distribution %>% 
  filter(N == 3) %>% 
  pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>% 
  ggplot() +
  geom_bar(aes(Numbers)) +
  facet_wrap("Elements", scales = "free")
```

Consensus formula (N == 3):
```{r}
consensus_formula_n3 <- formula_distribution %>% 
  filter(N == 3) %>% 
  pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>% 
  group_by(Elements, Numbers) %>% 
  summarise(N = n(), .groups = "drop_last") %>% 
  arrange(-N) %>% 
  summarise(Numbers = Numbers[1])

consensus_formula_n3
```

Exact mass from consensus formula:
```{r}
consensus_formula_n3 %>% 
  mutate(Masses = masses[Elements] * Numbers) %>% 
  .$Masses %>% sum()
```

### Masses

Distribution of parent masses:
```{r}
current_family %>% 
  ggplot() +
  geom_histogram(aes(`GNPS_precursor mass`), bins = 50)
```

Distribution of SIRIUS masses:
```{r}
formula_distribution %>% 
  filter(N %in% c(1, 3)) %>% 
  pivot_longer(3:ncol(.), names_to = "Elements", values_to = "Numbers") %>% 
  mutate(Masses = masses[Elements] * Numbers) %>% 
  group_by(FEATURE_ID) %>% 
  summarise(Masses = sum(Masses)) %>% 
  ggplot() +
  geom_histogram(aes(Masses), bins = 50)
```

# Figure 4: MMvec
## Family X950225

![X950225](Cytoscape/X950225.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X950225")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
```

## Family X950396

![X950396](Cytoscape/X950396.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X950396")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.4, .2))
```

## Family X960242

![X960242](Cytoscape/X960242.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X960242")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .2))
```

# microbeMASST
## Family X940029

![X940029](Cytoscape/C18pos/940029.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X940029")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
```

## Family X950190

![X950190](Cytoscape/C18neg/X950190.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X950190")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.4, .2))
```

## Family X940005

![X940005](Cytoscape/C18pos/940005.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X940005")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .2))
```

## Family X950167

![X950167](Cytoscape/C18neg/X950167.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X950167")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .4))
```

## Family X950477

![X950477](Cytoscape/C18neg/X950477.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X950477")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.4, .2))
```

## Family X970034

![X970034](Cytoscape/HILICneg/X970034.png)

### Canopus

Canopus annotations:
```{r}
current_family <- feature_info %>% 
  filter(FAMILY_ID == "X970034")

current_family %>% 
  select(starts_with("CAN_")) %>% 
  lapply(sort) %>% lapply(unique)
```

```{r}
word_freq <- tibble(
  Words = current_family$CAN_subclass
) %>% 
  filter(!is.na(Words)) %>% 
  mutate(Words = Words %>% str_remove_all("\"")) %>% 
  group_by(Words) %>% 
  summarize(Freq = n()) %>% 
  arrange(-Freq)

word_freq
```

```{r}
wordcloud(word_freq$Words, word_freq$Freq, min.freq = 1, scale = c(1.2, .2))
```
